ethyl 4-[[1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-3-carbonyl]amino]benzoate

C24H29N5O4 — CID 75551257

IUPACethyl 4-[[1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-3-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)C2CCCN(C(=O)C3CC(c4ccccn4)NN3)C2)cc1
InChIInChI=1S/C24H29N5O4/c1-2-33-24(32)16-8-10-18(11-9-16)26-22(30)17-6-5-13-29(15-17)23(31)21-14-20(27-28-21)19-7-3-4-12-25-19/h3-4,7-12,17,20-21,27-28H,2,5-6,13-15H2,1H3,(H,26,30)
InChIKeyMYTSGHRFGZEBBM-UHFFFAOYSA-N
MW451.53 g/mol
LogP2.04
Rot. Bonds6

About ethyl 4-[[1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-3-carbonyl]amino]benzoate

ethyl 4-[[1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-3-carbonyl]amino]benzoate (PubChem CID 75551257) has the molecular formula C24H29N5O4 and a molecular weight of 451.53 g/mol. Its IUPAC name is ethyl 4-[[1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-3-carbonyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-3-carbonyl]amino]benzoate
PubChem CID75551257
Molecular FormulaC24H29N5O4
Molecular Weight451.53 g/mol
Exact Mass451.22
IUPAC Nameethyl 4-[[1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-3-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)C2CCCN(C(=O)C3CC(c4ccccn4)NN3)C2)cc1
InChIInChI=1S/C24H29N5O4/c1-2-33-24(32)16-8-10-18(11-9-16)26-22(30)17-6-5-13-29(15-17)23(31)21-14-20(27-28-21)19-7-3-4-12-25-19/h3-4,7-12,17,20-21,27-28H,2,5-6,13-15H2,1H3,(H,26,30)
InChIKeyMYTSGHRFGZEBBM-UHFFFAOYSA-N
XLogP2.04
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze ethyl 4-[[1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-3-carbonyl]amino]benzoate with MolForge

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Related Compounds

N-(3-methoxyphenyl)-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-3-carboxamide
CID 75551266
N-[(5-methylfuran-2-yl)methyl]-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-3-carboxamide
CID 75188110
N-[(2-chlorophenyl)methyl]-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-3-carboxamide
CID 75551300
N-[(4-bromophenyl)methyl]-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-3-carboxamide
CID 75551292
ethyl 4-[[1-(2-fluorobenzoyl)piperidine-3-carbonyl]amino]benzoate
CID 50803904
N-(3-fluoro-4-methylphenyl)-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-4-carboxamide
CID 75551287
ethyl 3-(pyridin-2-ylcarbamoyl)piperidine-1-carboxylate
CID 46578071
ethyl 1-[5-(2-chlorophenyl)pyrazolidine-3-carbonyl]piperidine-3-carboxylate
CID 75255093
ethyl 4-[4-(cyclohexanecarbonylamino)anilino]benzoate
CID 112989355
N-(4-acetamidophenyl)-5-pyridin-2-ylpyrazolidine-3-carboxamide
CID 75188084
methyl (3S)-3-[[4-(ethoxycarbonylamino)phenyl]carbamoyl]piperidine-1-carboxylate
CID 95593872
ethyl 4-[[1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carbonyl]amino]benzoate
CID 121070672

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-3-carbonyl]amino]benzoate?
The IUPAC name of ethyl 4-[[1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-3-carbonyl]amino]benzoate (CID 75551257) is ethyl 4-[[1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-3-carbonyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-3-carbonyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-3-carbonyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)C2CCCN(C(=O)C3CC(c4ccccn4)NN3)C2)cc1.
What is the InChIKey of ethyl 4-[[1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-3-carbonyl]amino]benzoate?
The InChIKey is MYTSGHRFGZEBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O4/c1-2-33-24(32)16-8-10-18(11-9-16)26-22(30)17-6-5-13-29(15-17)23(31)21-14-20(27-28-21)19-7-3-4-12-25-19/h3-4,7-12,17,20-21,27-28H,2,5-6,13-15H2,1H3,(H,26,30).
What are the key properties of ethyl 4-[[1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-3-carbonyl]amino]benzoate?
ethyl 4-[[1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-3-carbonyl]amino]benzoate has a molecular weight of 451.53 g/mol, XLogP of 2.04, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-3-carbonyl]amino]benzoate is sourced from PubChem (CID 75551257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).